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58962-34-8

58962-34-8 structural image
Product Name: 13,14-DIHYDROPROSTAGLANDIN E1
Formula: C20H34O6
Synonyms: (9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprosta-13-en-1-oic acid;6-Ketoprostaglandin F;6-Oxo-prostaglandin F
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 202.9 Ų [M+Na]+ 196 Ų [M-H]-

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P321:Specific treatment (see … on this label).
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 370.5 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 13
Exact Mass 370.23553880 g/mol
Monoisotopic Mass 370.23553880 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 461
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

6-oxoprostaglandin F1alpha is a prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 6-position. It has a role as a human metabolite and a mouse metabolite. It is functionally related to a prostaglandin F1alpha. It is a conjugate acid of a 6-oxoprostaglandin F1alpha(1-).